Benzoic acid, p-propoxy-, 3-(2'-methylpiperidino)propyl ester
Basic information
- CAS
64050-43-7- Standard SMILES
CCCOc1ccc(C(=O)OCCCN2CCCCC2C)cc1- InChIKey
QSJRZMPYHHJWKX-UHFFFAOYSA-N- Molecular formula
- C19H29NO3
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.21474379
Names & identifiers
- Preferred name
- Benzoic acid, p-propoxy-, 3-(2'-methylpiperidino)propyl ester
- IUPAC
- 3-(2-methylpiperidin-1-yl)propyl 4-propoxybenzoate
- English name
- 3-(2-Methylpiperidino)propyl=p-propoxybenzoate
- Molecular formula
- C19H29NO3
- Molecular weight
- 319.44
Names & synonyms
64050-43-7BENZOIC ACID, p-PROPOXY-, 3-(2'-METHYLPIPERIDINO)PROPYL ESTERRefChem:10793313-(2-methylpiperidin-1-yl)propyl 4-propoxybenzoate3-(2'-Methylpiperidino)propyl p-propoxybenzoateDTXSID509824033-(2-Methylpiperidino)propyl=p-propoxybenzoateBenzoic acid, 4-propoxy-, 3-(2-methyl-1-piperidinyl)propyl ester
Database identifiers
- CAS
64050-43-7- PubChem CID
- 47012
- DTXSID
DTXSID50982403- Nikkaji
- J83.501C
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 436.3 · 436.3±25.0 °C(Predicted)
- Density
- 1.027 · 1.027±0.06 g/cm3(Predicted)
- pka
- 9.42 · 9.42±0.10(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…